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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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304245 124499717 1 N3C19H25 A3B19C25 36.32 1.05 -8.37 0.36 0
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304246 124499722 1 ON3C13H19 AB3C13D19 -25.01 3.81 -8.73 -0.04 0
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304247 124499736 1 N3C18H23 A3B18C23 41.85 2.79 -8.4 0.22 0
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304248 124499742 1 O2N3C19H23 A2B3C19D23 -48.97 3.84 -8.5 0.14 0
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304249 124499744 1 O2N3C16H25 A2B3C16D25 -98.69 3.06 -8.42 0.3 0
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304250 124499752 1 N3C15H25 A3B15C25 1.76 1.49 -8.24 0.49 0
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304251 124499764 1 N3C15H25 A3B15C25 -0.13 1.95 -8.25 0.51 0
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304252 124499765 1 N3C15H25 A3B15C25 -1.44 2.01 -8.29 0.43 0
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304253 124499766 1 N3C15H25 A3B15C25 -3.0 1.69 -8.27 0.43 0
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304254 124499767 1 N3C15H25 A3B15C25 0.16 1.87 -8.24 0.52 0
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304255 124499994 1 ON3C19H31 AB3C19D31 -41.73 3.63 -8.49 0.15 0
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304256 124499998 1 N3O3C20H31 A3B3C20D31 -137.2 4.66 -8.75 -0.08 0
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304257 124499999 1 N3O3C20H31 A3B3C20D31 -139.68 2.42 -8.68 -0.09 0
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304258 124500027 1 ON3C17H27 AB3C17D27 -37.75 4.48 -8.36 0.31 0
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304259 124500030 1 ON3C18H29 AB3C18D29 -32.83 1.59 -8.18 0.22 0
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304260 124500046 1 ON3C18H29 AB3C18D29 -35.86 3.45 -8.3 0.35 0
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304261 124500070 1 N2C17H20 A2B17C20 43.26 1.26 -8.81 -0.05 0
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304262 124500090 2 NC6H9 AB6C9 10.02 3.74 -8.82 0.17 0
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304263 124500176 1 N2O2H20C21 A2B2C20D21 -17.25 4.89 -9.35 -0.74 0
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304264 124500351 1 ON3C12H23 AB3C12D23 -39.13 1.9 -8.96 1.02 0
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304265 124500399 1 ClN2O2C12H19 AB2C2D12E19 -93.07 1.93 -9.08 -0.39 0
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304266 124500400 1 ClN2O2C12H19 AB2C2D12E19 -92.09 2.16 -9.1 -0.42 0
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304267 124500403 1 ClN2O2C13H21 AB2C2D13E21 -96.18 2.32 -9.11 -0.43 0
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304268 124500410 1 BrN2O2C13H21 AB2C2D13E21 -89.25 0.75 -9.2 -0.99 0
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304269 124500419 1 NO2C13H21 AB2C13D21 -89.11 4.37 -8.77 0.33 0
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304270 124500422 1 O3C12H16 A3B12C16 -123.36 4.21 -9.79 -0.26 0
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304271 124500423 1 O3C12H16 A3B12C16 -123.41 3.79 -9.79 -0.3 0
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304272 124500449 1 NSO2C11H13 ABC2D11E13 -64.86 5.18 -9.33 -0.58 0
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304273 124500460 1 O3C14H20 A3B14C20 -130.84 1.08 -9.38 0.12 0
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304274 124500468 1 O3C13H18 A3B13C18 -126.32 1.04 -9.27 0.25 0
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304275 124500483 1 NO2C13H21 AB2C13D21 -89.69 3.96 -9.52 -0.07 0
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304276 124500492 1 NOC12H19 ABC12D19 -38.27 1.92 -9.26 0.29 0
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304277 124500844 1 NOC12H19 ABC12D19 -29.7 0.97 -8.61 0.51 0
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304278 124500887 1 NOC11H17 ABC11D17 -25.53 0.58 -8.52 0.52 0
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304279 124501007 1 N2C15H20 A2B15C20 24.86 0.49 -8.3 0.26 0
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304280 124501067 1 N2C15H18 A2B15C18 38.42 4.12 -8.79 -0.5 0
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304281 124501093 1 FNOC11H12 ABCD11E12 -67.84 4.55 -9.44 -0.36 0
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304282 124501217 1 ON2C10H16 AB2C10D16 -34.17 2.72 -8.72 0.06 0
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304283 124501385 1 ON2C21H22 AB2C21D22 31.4 1.75 -8.83 -0.24 0
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304284 124501389 1 N3C17H23 A3B17C23 41.59 2.73 -8.62 0.05 0
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304285 124501441 1 N3C14H23 A3B14C23 4.51 1.58 -8.42 0.17 0
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304286 124501442 1 N3C14H23 A3B14C23 0.4 2.82 -8.49 0.06 0
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304287 124501515 1 N3O3C22H29 A3B3C22D29 -105.36 3.19 -8.85 -0.33 0
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304288 124501518 1 O2N4C17H28 A2B4C17D28 -93.14 3.43 -8.66 0.01 0
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304289 124501570 1 ON2C9H14 AB2C9D14 -41.6 4.37 -8.85 -0.31 0
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304290 124501576 1 NOSC9H13 ABCD9E13 -33.5 6.78 -8.22 -0.72 0
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304291 124502849 1 ON2H18C19 AB2C18D19 41.54 2.76 -8.42 -0.13 0
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304292 124502979 1 O2N3C17H19 A2B3C17D19 -22.63 3.83 -8.72 -0.24 0
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304293 124503545 1 N2O3H16C17 A2B3C16D17 -46.27 4.4 -8.69 -0.56 0
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304294 124503926 1 Cl2N2O3H12C16 A2B2C3D12E16 -51.51 7.03 -8.91 -0.76 0
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304295 124504406 1 O5C15H16 A5B15C16 -173.33 6.1 -8.98 -0.75 0
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304296 124504513 1 ClON3H18C25 ABC3D18E25 75.71 9.23 -9.18 -1.35 0
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304297 124504624 2 ON2C9H9 AB2C9D9 35.89 1.07 -8.93 -0.12 0
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304298 124506748 1 FOSN5H16C17 ABCD5E16F17 33.44 9.46 -8.88 -1.26 0
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304301 124507223 1 FSN2O4C14H19 ABC2D4E14F19 -202.71 6.38 -8.51 -0.12 0
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304302 124507232 1 BrOC4H5 ABC4D5 -11.13 3.02 -10.34 -0.56 0
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304303 124509172 1 O3C19H26 A3B19C26 -144.54 2.82 -9.86 0.33 0
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304304 124510027 1 N3C11H19 A3B11C19 11.86 3.56 -8.91 1.12 0
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304305 124510856 1 ClNO4C11H12 ABC4D11E12 -153.21 7.77 -10.08 -1.13 0
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304306 124511069 2 ON2C10H10 AB2C10D10 10.85 7.85 -9.27 -1.1 0
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304307 124511091 1 O2N5C17H27 A2B5C17D27 -79.4 4.43 -9.11 0.43 0
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304308 124511102 1 O19C33H42 A19B33C42 -799.59 7.45 -9.3 -0.37 0
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304309 124514242 1 N2C13H26 A2B13C26 -26.73 0.24 -8.58 2.65 0
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304310 124514348 1 BrO2C8H13 AB2C8D13 -101.83 2.64 -10.55 -0.37 0
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304311 124517275 1 NO4C12H21 AB4C12D21 -213.42 6.51 -9.96 0.62 0
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304312 124520107 1 N2O3C20H26 A2B3C20D26 -74.38 4.2 -8.95 -0.16 0
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304313 124520109 1 O2N3C21H27 A2B3C21D27 -33.83 3.77 -8.98 -0.34 0
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304314 124520110 1 O2N3C21H27 A2B3C21D27 -34.39 5.7 -9.03 -0.42 0
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304315 124524936 1 N2O6C15H20 A2B6C15D20 -257.59 6.45 -9.92 -0.43 0
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304316 124525077 1 FNOH8C9 ABCD8E9 -42.6 2.29 -9.74 -0.42 0
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304318 124525084 1 NO2C9H13 AB2C9D13 -61.72 5.33 -10.03 0.72 0
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304319 124525384 10 CH AB 100.26 0.52 -8.82 0.26 0
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304320 124525389 1 O2H14C17 A2B14C17 21.4 3.62 -9.6 -0.97 0
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304325 124526306 1 ClNOC21H26 ABCD21E26 -20.85 2.46 -8.78 -0.15 0
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304327 124526341 1 NOC20H23 ABC20D23 -3.53 3.37 -8.19 -0.25 0
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304328 124527345 1 NO6C17H19 AB6C17D19 -225.63 2.74 -9.86 -0.47 0
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304329 124528159 1 N2O2C13H20 A2B2C13D20 -79.54 1.84 -8.65 0.02 0
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304330 124530891 1 ClSN2F3O4H20C25 ABC2D3E4F20G25 -239.67 6.25 -9.33 -1.81 0
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304331 124530989 1 BrSN2O5C29H31 ABC2D5E29F31 -134.69 2.24 -9.15 -1.45 0
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304332 124534942 1 SN4O8C25H26 AB4C8D25E26 -138.69 3.51 -8.67 -0.88 0
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304333 124534952 1 BrSN3O7C25H26 ABC3D7E25F26 -153.13 1.47 -8.19 -0.78 0
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304334 124537222 1 BrN2S2O3H21C24 AB2C2D3E21F24 -30.48 3.2 -8.98 -1.07 0
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304335 124538370 1 BrSCl2N2O2H19C24 ABC2D2E2F19G24 -6.5 8.71 -8.73 -0.86 0
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304336 124541792 1 N3O9C31H33 A3B9C31D33 -240.56 5.58 -8.02 -1.4 0
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304337 124542012 1 BrS2N3O3H18C26 AB2C3D3E18F26 12.66 11.82 -8.18 -1.83 0
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304338 124542057 1 BrSN3O4H20C24 ABC3D4E20F24 -66.37 3.92 -8.51 -1.13 0
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304339 124542245 1 ClSN3O3H26C30 ABC3D3E26F30 -11.09 5.5 -8.78 -1.52 0
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304340 124542612 1 FN3O3H18C25 AB3C3D18E25 -39.55 2.6 -9.43 -1.04 1
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304341 124546059 1 P2N4O11C14H27 A2B4C11D14E27 -555.67 14.59 0.0 0.0 0
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304342 124546069 1 BrClSO4N5C21H21 ABCD4E5F21G21 -83.11 7.68 -9.1 -0.91 0
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304343 124546085 1 SN4O5C28H42 AB4C5D28E42 -250.91 5.49 -8.48 0.13 0
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304344 124546086 1 S2O4N5C26H33 A2B4C5D26E33 -87.02 7.13 -8.7 -0.62 0
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304345 124546230 1 NO5C18H21 AB5C18D21 -102.32 5.21 -8.7 -1.05 0
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304346 124551026 1 ClSN2O3C18H21 ABC2D3E18F21 -93.59 6.01 -8.93 -0.2 0
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304347 124553585 1 SN3O5H21C23 AB3C5D21E23 -19.59 11.8 -8.97 -1.1 0
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304348 124555309 1 ClS2N3O5H24C26 AB2C3D5E24F26 -128.51 7.14 -8.48 -0.93 0
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304349 124557209 1 FSN2O3H27C31 ABC2D3E27F31 -68.81 5.21 -9.12 -1.4 0
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304350 124557345 1 SN3O3C33H33 AB3C3D33E33 -22.62 6.34 -8.42 -1.16 0
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304351 124557866 1 ClN2O4H19C20 AB2C4D19E20 -136.59 3.12 -9.2 -0.63 0
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304352 124557966 1 N4O6H30C31 A4B6C30D31 -193.48 6.46 -9.35 -1.02 0